SCHEMBL4595668

SCHEMBL4595668

CC(C)(C)c1cc(CN2CCOCC2)cc(C(C)(C)C)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
KDM4E B2RXH2 4/20 0.71
MAPT P10636 4/20 0.71
TDP1 Q9NUW8 2/20 0.71
GAA P10253 5/20 0.66
TSHR P16473 3/20 0.66
LMNA P02545 2/20 0.66
POLB P06746 1/20 0.66
THRB P10828 1/20 0.66
HPGD P15428 1/20 0.66
HSD17B10 Q99714 2/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
ALOX15 P16050 2/20 0.49
CYP2C9 P11712 1/20 0.49
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
NOS3 P29474 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8843521 0.98 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL9417065 0.91 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL8933534 0.90 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL14000568 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL9417094 0.88 ALDH1A1 (0.90) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL10009116 0.88 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL9417025 0.85 MAPT (0.54) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL5571042 0.85 ALDH1A1 (0.97) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL5573167 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL3519518 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTTDP1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022769-A1 METHOD FOR TREATING MULTIPLE SCLEROSIS ELI LILLY AND COMPANY (US) 1996-08-01 WO claimed
EP-0722723-A2 Phenol derivatives for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP claimed
EP-0474403-B1 Method of treating inflammatory bowel disease LILLY CO ELI (US) 1995-05-10 EP claimed
EP-0474403-A1 Method of treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1992-03-11 EP claimed
US-4480133-A Chemical process ETHYL CORPORATION (US) 1984-10-30 US claimed
US-4456770-A Chemical process for preparing 1,3 diketones ETHYL CORPORTATION (US) 1984-06-26 US claimed
US-4456771-A Chemical process for preparing 1,3-diketones ETHYL CORPORATION (US) 1984-06-26 US claimed
EP-1417209-B1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS CROMPTON CORP (US) 2008-01-16 EP disclosed
US-7192695-B2 Image forming method using photothermographic material FUJIFILM CORPORATION (JP) 2007-03-20 US disclosed
US-7192695-B2 Image forming method using photothermographic material FUJIFILM CORPORATION (JP) 2007-03-20 US disclosed
EP-1417209-A1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS Crompton Corporation (US) 2004-05-12 EP disclosed
WO-2003014130-A1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS CROMPTON CORPORATION (US) 2003-02-20 WO disclosed
US-6475347-B1 High boiling inhibitors for distillable, polymerizable monomers CROMPTON CORPORATION 2002-11-05 US disclosed
EP-0161252-A1 PROCESS FOR PREPARING 3,5-DIHYDROCARBYL-4-HYDROXYBENZYLMALONIC ACID ESTERS ETHYL CORPORATION (US) 1985-11-21 EP disclosed
US-4532356-A Chemical process ETHYL CORPORATION (US) 1985-07-30 US disclosed
WO-1985002179-A1 PROCESS FOR PREPARING (3',5'-DIHYDROCARBYL-4'HYDROXYBENZYL)-1,2-DIKETONES ETHYL CORPORATION (US) 1985-05-23 WO disclosed
WO-1985002183-A1 PROCESS FOR PREPARING 3,5-DIHYDROCARBYL-4-HYDROXYBENZYLMALONIC ACID ESTERS ETHYL CORPORATION (US) 1985-05-23 WO disclosed
US-4480133-A Chemical process ETHYL CORPORATION (US) 1984-10-30 US disclosed
US-4456770-A Chemical process for preparing 1,3 diketones ETHYL CORPORTATION (US) 1984-06-26 US disclosed
US-4456771-A Chemical process for preparing 1,3-diketones ETHYL CORPORATION (US) 1984-06-26 US disclosed